votca 2024.1-dev
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topologymap.h
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1/*
2 * Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
3 *
4 * Licensed under the Apache License, Version 2.0 (the "License");
5 * you may not use this file except in compliance with the License.
6 * You may obtain a copy of the License at
7 *
8 * http://www.apache.org/licenses/LICENSE-2.0
9 *
10 * Unless required by applicable law or agreed to in writing, software
11 * distributed under the License is distributed on an "AS IS" BASIS,
12 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
13 * See the License for the specific language governing permissions and
14 * limitations under the License.
15 *
16 */
17
18#ifndef VOTCA_CSG_TOPOLOGYMAP_H
19#define VOTCA_CSG_TOPOLOGYMAP_H
20
21// Standard includes
22#include <memory>
23#include <vector>
24
25// Local VOTCA includes
26#include "map.h"
27#include "topology.h"
28
29namespace votca {
30namespace csg {
31
33 public:
34 TopologyMap(const Topology *in, Topology *out);
35
36 void AddMoleculeMap(Map map);
37
38 void Apply();
39
40 private:
41 const Topology *in_;
43
44 using MapContainer = std::vector<Map>;
46};
47
49 : in_(in), out_(out) {}
50
52 maps_.push_back(std::move(map));
53}
54
55} // namespace csg
56} // namespace votca
57
58#endif // VOTCA_CSG_TOPOLOGYMAP_H
void AddMoleculeMap(Map map)
Definition topologymap.h:51
const Topology * in_
Definition topologymap.h:41
std::vector< Map > MapContainer
Definition topologymap.h:44
TopologyMap(const Topology *in, Topology *out)
Definition topologymap.h:48
topology of the whole system
Definition topology.h:81
base class for all analysis tools
Definition basebead.h:33